Basic information
- CAS
91254-61-4- Standard SMILES
NC1=NCN(C2OC(CCl)C(O)C2O)C(=O)N1- InChIKey
BIFFCUZJAPUZRZ-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4O4
- Average molar mass
- 264.66 g/mol
- Monoisotopic mass
- 264.0625326
Names & identifiers
- Preferred name
- 6-Amino-3-[5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
- IUPAC
- 6-amino-3-[5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
Names & synonyms
91254-61-4NSC3762616-amino-3-[5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-oneSCHEMBL6674379DTXSID50321459NSC-3762616-Amino-3-(5-chloro-5-deoxypentofuranosyl)-3,4-dihydro-1,3,5-triazin-2(1H)-one
Database identifiers
- CAS
91254-61-4- PubChem CID
- 341889
- DTXSID
DTXSID50321459
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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